General Information of the Compound
| Compound ID |
CP0275908
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| Compound Name |
N-[3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-methyl-5-methylsulfonyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
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| Structure |
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| Formula |
C22H24F2N4O5S
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| Molecular Weight |
494.52
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| Canonical SMILES |
C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OCCOc3cn2)ccc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C22H24F2N4O5S/c1-21(34(2,30)31)5-6-22(12-23,28-20(21)25)14-9-13(3-4-15(14)24)27-19(29)16-10-17-18(11-26-16)33-8-7-32-17/h3-4,9-11H,5-8,12H2,1-2H3,(H2,25,28)(H,27,29)/t21-,22-/m1/s1
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| InChIKey |
MBCUELYFGMRTJD-FGZHOGPDSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound